CID 5463971
2-ethylhexyl 12-hydroxyoctadecanoate
Structural Information
- Molecular Formula
- C26H52O3
- SMILES
- CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)CCCC)O
- InChI
- InChI=1S/C26H52O3/c1-4-7-9-16-20-25(27)21-17-14-12-10-11-13-15-18-22-26(28)29-23-24(6-3)19-8-5-2/h24-25,27H,4-23H2,1-3H3
- InChIKey
- GLCFQKXOQDQJFZ-UHFFFAOYSA-N
- Compound name
- 2-ethylhexyl 12-hydroxyoctadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 413.39891 | 219.3 |
[M+Na]+ | 435.38085 | 217.4 |
[M-H]- | 411.38435 | 214.5 |
[M+NH4]+ | 430.42545 | 219.1 |
[M+K]+ | 451.35479 | 213.4 |
[M+H-H2O]+ | 395.38889 | 211.3 |
[M+HCOO]- | 457.38983 | 223.5 |
[M+CH3COO]- | 471.40548 | 230.7 |
[M+Na-2H]- | 433.36630 | 211.5 |
[M]+ | 412.39108 | 227.8 |
[M]- | 412.39218 | 227.8 |
Literature stripe
No literature data available for this compound.